6-chloranyl-4-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6-chloranyl-4-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-6-chloro-chromen-2-one CAS Name: 6-chloro-4-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-6-chlorochromen-2-one Traditional Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-6-chloro-coumarin Formula: C27H26ClN2O2+ MolecularWeight: 445.96054

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=C(C=C3)Cl)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=C(C=C3)Cl)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H25ClN2O2/c28-23-11-12-25-24(18-23)22(17-26(31)32-25)19-29-13-15-30(16-14-29)27(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,17-18,27H,13-16,19H2/p+1